(2-tert-butyl-4-methyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 3,5-dinitrobenzoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C18H18N2O6/c1-11-5-6-16(15(7-11)18(2,3)4)26-17(21)12-8-13(19(22)23)10-14(9-12)20(24)25/h5-10H,1-4H3